1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone

C19H22N2O — CID 757808

IUPAC1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O/c1-16(22)18-7-9-19(10-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyAUTPNGXKYQJLBF-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.21
Rot. Bonds4

About 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone

1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone (PubChem CID 757808) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone
PubChem CID757808
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O/c1-16(22)18-7-9-19(10-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyAUTPNGXKYQJLBF-UHFFFAOYSA-N
XLogP3.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone (CID 757808) is 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone?
The InChIKey is AUTPNGXKYQJLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-16(22)18-7-9-19(10-8-18)21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone?
1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylpiperazin-1-yl)phenyl]ethanone is sourced from PubChem (CID 757808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).